SCHEMBL8390691

SCHEMBL8390691

CC(C)(C)OC(=O)C(N)C(NC(=O)Cc1cncn1Cc1ccc(C#N)cc1)C(=O)NCc1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
FNTA P49354 8/20 0.43
FNTB P49356 8/20 0.43
PGGT1B P53609 6/20 0.43
RAB9A P51151 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9051478 0.86 FNTA (0.46) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8390690 0.86 FNTA (0.46) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8388787 0.83 FNTA (0.48) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8389739 0.81 FNTA (0.47) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8389011 0.81 FNTA (0.49) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL9051587 0.81 FNTA (0.47) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL9052376 0.81 FNTA (0.47) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8389012 0.81 FNTA (0.49) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL9052174 0.80 FNTA (0.46) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8388772 0.77 FNTA (0.46) CYP11B1CYP11B2FNTAFNTBPGGT1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5972984-A LOW MOLECULAR WEIGHT PEPTIDYL COMPOUNDS THAT DO NOT HAVE A THIOL MOIETY. MERCK & CO., INC. (US) 1999-10-26 US disclosed